Geometry & MOs

Info

ID:	288315
PubChem CID:	104314914
Reduced:	BrNC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	435.91758
ΔH_f, kcal/mol:	22.07
Dipole, Da:	1.74
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3-fluorophenyl)-1-(3,5-dibromopyridin-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCC(C1=C(C=C(C=N1)Br)Br)NCC

DOS

IR

Vibrations